N-[4-[(2,2-diphenylethanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[(2,2-diphenylethanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[(2,2-diphenylacetyl)carbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[4-[oxo-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]butanamide IUPAC Name: N-[4-[[(2,2-diphenylacetyl)carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[(2,2-diphenylacetyl)thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-butyramide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H28N4O3S/c1-18(2)17-23(32)28-22-15-13-21(14-16-22)25(33)30-31-27(35)29-26(34)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,18,24H,17H2,1-2H3,(H,28,32)(H,30,33)(H2,29,31,34,35)